3-(2-anilino-4-fluorophenyl)prop-2-enal

C15H12FNO — CID 87166355

IUPAC3-(2-anilino-4-fluorophenyl)prop-2-enal
SMILESO=CC=Cc1ccc(F)cc1Nc1ccccc1
InChIInChI=1S/C15H12FNO/c16-13-9-8-12(5-4-10-18)15(11-13)17-14-6-2-1-3-7-14/h1-11,17H
InChIKeyZJIVNVRVTJCHMU-UHFFFAOYSA-N
MW241.27 g/mol
LogP3.78
Rot. Bonds4

About 3-(2-anilino-4-fluorophenyl)prop-2-enal

3-(2-anilino-4-fluorophenyl)prop-2-enal (PubChem CID 87166355) has the molecular formula C15H12FNO and a molecular weight of 241.27 g/mol. Its IUPAC name is 3-(2-anilino-4-fluorophenyl)prop-2-enal.

Molecular Properties

Compound Name3-(2-anilino-4-fluorophenyl)prop-2-enal
PubChem CID87166355
Molecular FormulaC15H12FNO
Molecular Weight241.27 g/mol
Exact Mass241.09
IUPAC Name3-(2-anilino-4-fluorophenyl)prop-2-enal
SMILESO=CC=Cc1ccc(F)cc1Nc1ccccc1
InChIInChI=1S/C15H12FNO/c16-13-9-8-12(5-4-10-18)15(11-13)17-14-6-2-1-3-7-14/h1-11,17H
InChIKeyZJIVNVRVTJCHMU-UHFFFAOYSA-N
XLogP3.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-anilino-4-fluorophenyl)prop-2-enal?
The IUPAC name of 3-(2-anilino-4-fluorophenyl)prop-2-enal (CID 87166355) is 3-(2-anilino-4-fluorophenyl)prop-2-enal.
What is the SMILES notation for 3-(2-anilino-4-fluorophenyl)prop-2-enal?
The canonical SMILES for 3-(2-anilino-4-fluorophenyl)prop-2-enal is O=CC=Cc1ccc(F)cc1Nc1ccccc1.
What is the InChIKey of 3-(2-anilino-4-fluorophenyl)prop-2-enal?
The InChIKey is ZJIVNVRVTJCHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO/c16-13-9-8-12(5-4-10-18)15(11-13)17-14-6-2-1-3-7-14/h1-11,17H.
What are the key properties of 3-(2-anilino-4-fluorophenyl)prop-2-enal?
3-(2-anilino-4-fluorophenyl)prop-2-enal has a molecular weight of 241.27 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-anilino-4-fluorophenyl)prop-2-enal is sourced from PubChem (CID 87166355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).